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CAS 116700-73-3 2-(((Tert-Butyldimethylsilyl)Oxy)Methyl)Prop-2-En-1-Ol molecular structure lightbox
CAS RN: 116700-73-3

2-(((Tert-Butyldimethylsilyl)Oxy)Methyl)Prop-2-En-1-Ol

  • Product code: SSC-016630
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116700-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

116700-73-3 / 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol

2-(((tert-Butyldimethylsilyl)oxy)methyl)prop-2-en-1-ol | 2-{[(TERT-BUTYLDIMETHYLSILYL)OXY]METHYL}PROP-2-EN-1-OL | 2-[[(tert-Butyldimethylsilyl)oxy]methyl]prop-2-en-1-ol

Standard CAS: 116700-73-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116700-73-3
Multi CAS
No
Molecular Formula
C10H22O2Si
Molecular Weight
202.370000
Exact Mass
202.138906
SMILES
CC(C)(C)[Si](C)(C)OCC(=C)CO
InChI
InChI=1S/C10H22O2Si/c1-9(7-11)8-12-13(5,6)10(2,3)4/h11H,1,7-8H2,2-6H3
InChIKey
JODYQRNHEDLXPC-UHFFFAOYSA-N
Synonyms
2-(((tert-Butyldimethylsilyl)oxy)methyl)prop-2-en-1-ol 2-{[(TERT-BUTYLDIMETHYLSILYL)OXY]METHYL}PROP-2-EN-1-OL 2-[[(tert-Butyldimethylsilyl)oxy]methyl]prop-2-en-1-ol RefChem:447198 895-101-7

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.37
TPSA
29.46

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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